3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol

C16H32O6 — CID 163962789

IUPAC3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
SMILESCCCCOCCCOC1COC1.OCCCOC1COC1
InChIInChI=1S/C10H20O3.C6H12O3/c1-2-3-5-11-6-4-7-13-10-8-12-9-10;7-2-1-3-9-6-4-8-5-6/h10H,2-9H2,1H3;6-7H,1-5H2
InChIKeySIZXZPJSZRUZAG-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.39
Rot. Bonds12

About 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol

3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol (PubChem CID 163962789) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
PubChem CID163962789
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
SMILESCCCCOCCCOC1COC1.OCCCOC1COC1
InChIInChI=1S/C10H20O3.C6H12O3/c1-2-3-5-11-6-4-7-13-10-8-12-9-10;7-2-1-3-9-6-4-8-5-6/h10H,2-9H2,1H3;6-7H,1-5H2
InChIKeySIZXZPJSZRUZAG-UHFFFAOYSA-N
XLogP1.39
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
butan-1-ol;1-butoxybutane
CID 19700093
butoxycyclopentane;ethane-1,2-diol
CID 174670164
3-cyclopropyloxypropan-1-ol
CID 66696145
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
2-butoxyethanol
CID 8133
5-(oxetan-3-yloxy)pentane-1-thiol
CID 102608739
acetic acid;3-butoxypropan-1-ol
CID 71441465

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol?
The IUPAC name of 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol (CID 163962789) is 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol.
What is the SMILES notation for 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol?
The canonical SMILES for 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol is CCCCOCCCOC1COC1.OCCCOC1COC1.
What is the InChIKey of 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol?
The InChIKey is SIZXZPJSZRUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.C6H12O3/c1-2-3-5-11-6-4-7-13-10-8-12-9-10;7-2-1-3-9-6-4-8-5-6/h10H,2-9H2,1H3;6-7H,1-5H2.
What are the key properties of 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol?
3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol has a molecular weight of 320.43 g/mol, XLogP of 1.39, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol is sourced from PubChem (CID 163962789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).